Products 502626-06-4

CAS 502626-06-4 appears in our catalog under these names: Paclitaxel Impurity 48, Paclitaxel Impurity 17（Paclitaxel EP Impurity Q）, N-Debenzoyl-N-((3E)-hex-3-enoyl) Paclitaxel, N-Debenzoyl-N-[(3E)-hex-3-enoyl]paclitax. Offered by: Chemat Brand, Hubei YoungXin, TRC, Sigma-Aldrich. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

Paclitaxel Impurity 48
Chemat Brand
  • size: on request
  • Variants: 1
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Paclitaxel Impurity 17（Paclitaxel EP Impurity Q）
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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N-Debenzoyl-N-((3E)-hex-3-enoyl) Paclitaxel
TRC
  • size: 10mg
  • Variants: 1
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N-Debenzoyl-N-[(3E)-hex-3-enoyl]paclitax
Sigma-Aldrich
  • size: 50MG
  • Variants: 1
from 2661.00
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Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[[(E)-hex-2-enoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 502626-06-4) is a chemical compound with the molecular formula C46H55NO14 and a molecular weight of 845.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[[(E)-hex-2-enoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: YICCKKUGHVMTTI-VQWUKFIUSA-N.

Identity
Molecular formulaC46H55NO14
Molecular weight845.9 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[[(E)-hex-2-enoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyYICCKKUGHVMTTI-VQWUKFIUSA-N
SMILESCCC/C=C/C(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O

Computed by PubChem (NCBI)

Synonyms: N-Debenzoyl-N-[(3E)-hex-3-enoyl] Paclitaxel
Isomers (same molecular formula)
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[[(Z)-hex-3-enoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C46H55NO14